2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide

C17H19ClN4O3S — CID 6470621

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H19ClN4O3S/c18-14-6-7-16(19-12-14)20-17(23)13-21-8-10-22(11-9-21)26(24,25)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,19,20,23)
InChIKeySJFPJWRZNBVCOR-UHFFFAOYSA-N
MW394.88 g/mol
LogP1.68
Rot. Bonds5

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 6470621) has the molecular formula C17H19ClN4O3S and a molecular weight of 394.88 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID6470621
Molecular FormulaC17H19ClN4O3S
Molecular Weight394.88 g/mol
Exact Mass394.09
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H19ClN4O3S/c18-14-6-7-16(19-12-14)20-17(23)13-21-8-10-22(11-9-21)26(24,25)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,19,20,23)
InChIKeySJFPJWRZNBVCOR-UHFFFAOYSA-N
XLogP1.68
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide (CID 6470621) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is SJFPJWRZNBVCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3S/c18-14-6-7-16(19-12-14)20-17(23)13-21-8-10-22(11-9-21)26(24,25)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,19,20,23).
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 394.88 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 6470621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).